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PDB: 6669 results

5Q5T
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BU of 5q5t by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 130)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:PanDDA analysis group deposition
To Be Published
4IHQ
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BU of 4ihq by Molmil
Archaellum Assembly ATPase FlaI bound to ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FlaI ATPase, ...
Authors:Reindl, S, Williams, G.J, Tainer, J.A.
Deposit date:2012-12-19
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into FlaI Functions in Archaeal Motor Assembly and Motility from Structures, Conformations, and Genetics.
Mol.Cell, 49, 2013
5Q6B
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BU of 5q6b by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 148)
Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION
Authors:Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-05-25
Release date:2018-08-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:PanDDA analysis group deposition
To Be Published
3P2R
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BU of 3p2r by Molmil
Crystal structure of the fluoroacetyl-CoA-specific thioesterase FlK in complex with fluoroacetate
Descriptor: Fluoroacetyl coenzyme A thioesterase, fluoroacetic acid
Authors:Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y.
Deposit date:2010-10-03
Release date:2010-10-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
4ID9
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BU of 4id9 by Molmil
Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound nad, monoclinic form 1
Descriptor: ALANINE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Vetting, M.W, Groninger-Poe, F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-12-12
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound nad, monoclinic form 1
To be Published
4IP4
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BU of 4ip4 by Molmil
Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg
Descriptor: CARBON DIOXIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C.
Deposit date:2013-01-09
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.128 Å)
Cite:Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with mg
To be Published
3PDX
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BU of 3pdx by Molmil
Crystal structural of mouse tyrosine aminotransferase
Descriptor: Tyrosine aminotransferase
Authors:Mehere, P.V, Han, Q, Lemkul, J.A, Robinson, H, Bevan, D.R, Li, J.
Deposit date:2010-10-25
Release date:2010-11-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations.
Protein Cell, 1, 2010
3PBV
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BU of 3pbv by Molmil
Crystal structure of the mutant I96T of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, GLYCEROL, Orotidine 5'-monophosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Iiams, V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-21
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site.
Biochemistry, 50, 2011
4IT1
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BU of 4it1 by Molmil
Crystal structure of enolase pfl01_3283 (target efi-502286) from pseudomonas fluorescens pf0-1 with bound magnesium, potassium and tartrate
Descriptor: BICARBONATE ION, L(+)-TARTARIC ACID, MAGNESIUM ION, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-01-17
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Enolase Pfl01_3283 from Pseudomonas Fluorescens
To be Published
4ISD
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BU of 4isd by Molmil
Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione
Descriptor: GLUTATHIONE, Glutathione S-transferase
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-01-16
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione
TO BE PUBLISHED
1PTZ
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BU of 1ptz by Molmil
Crystal structure of the human CU, Zn Superoxide Dismutase, Familial Amyotrophic Lateral Sclerosis (FALS) Mutant H43R
Descriptor: COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:DiDonato, M, Craig, L, Huff, M.E, Thayer, M.M, Cardoso, R.M.F, Kassmann, C.J, Lo, T.P, Bruns, C.K, Powers, E.T, Kelly, J.W, Getzoff, E.D, Tainer, J.A.
Deposit date:2003-06-23
Release date:2003-09-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization
J.Mol.Biol., 332, 2003
4IV2
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BU of 4iv2 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a
Descriptor: 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-22
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4IVF
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BU of 4ivf by Molmil
Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit
Descriptor: CITRIC ACID, GLUTATHIONE, Putative uncharacterized protein
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-01-22
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit
To be Published
4IW8
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BU of 4iw8 by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a
Descriptor: 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-23
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.0375 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
4J2F
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BU of 4j2f by Molmil
Crystal structure of a glutathione transferase family member from Ricinus communis, target EFI-501866
Descriptor: GLYCEROL, Glutathione s-transferase
Authors:Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C.
Deposit date:2013-02-04
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a glutathione transferase family member from Ricinus communis, target EFI-501866
TO BE PUBLISHED
3PFR
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BU of 3pfr by Molmil
Crystal structure of D-Glucarate dehydratase related protein from Actinobacillus Succinogenes complexed with D-Glucarate
Descriptor: D-GLUCARATE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein
Authors:Fedorov, A.A, Fedorov, E.V, Mills-Groninger, F, Ghasempur, S, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-29
Release date:2011-11-02
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Crystal structure of D-Glucarate dehydratase related protein from Actinobacillus Succinogenes complexed with D-Glucarate
To be Published
4IUI
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BU of 4iui by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a
Descriptor: 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2013-01-21
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
1RQ2
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BU of 1rq2 by Molmil
MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH CITRATE
Descriptor: CITRIC ACID, Cell division protein ftsZ
Authors:Leung, A.K.W, White, E.L, Ross, L.J, Reynolds, R.C, DeVito, J.A, Borhani, D.W.
Deposit date:2003-12-04
Release date:2004-08-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches.
J.Mol.Biol., 342, 2004
4IY0
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BU of 4iy0 by Molmil
Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Metal transporter CNNM2
Authors:Corral-Rodriguez, M.A, Stuiver, M, Encinar, J.A, Spiwok, V, Gomez-Garcia, I, Oyenarte, I, Ereno-Orbea, J, Terashima, H, Accardi, A, Diercks, T, Muller, D, Martinez-Cruz, L.A.
Deposit date:2013-01-28
Release date:2014-03-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To be Published
1RTX
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BU of 1rtx by Molmil
Crystal Structure of Synechocystis Hemoglobin with a Covalent Heme Linkage
Descriptor: CADMIUM ION, Cyanoglobin, POTASSIUM ION, ...
Authors:Hoy, J.A, Kundu, S, Trent, J.T, Ramaswamy, S, Hargrove, M.S.
Deposit date:2003-12-10
Release date:2004-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of synechocystis hemoglobin with a covalent heme linkage.
J.Biol.Chem., 279, 2004
4J1O
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BU of 4j1o by Molmil
Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound l-proline betaine (substrate)
Descriptor: 1,1-DIMETHYL-PROLINIUM, GLYCEROL, IODIDE ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, LaFleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-02-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine.
MBio, 5, 2014
1RJ1
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BU of 1rj1 by Molmil
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco
Descriptor: invertase inhibitor
Authors:Hothorn, M, D'Angelo, I, Marquez, J.A, Greiner, S, Scheffzek, K.
Deposit date:2003-11-18
Release date:2004-02-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The invertase inhibitor Nt-CIF from tobacco: a highly thermostable four-helix bundle with an unusual N-terminal extension
J.Mol.Biol., 335, 2004
3PQZ
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BU of 3pqz by Molmil
Grb7 SH2 with peptide
Descriptor: Growth factor receptor-bound protein 7, cyclic peptide
Authors:Wilce, J.A.
Deposit date:2010-11-29
Release date:2011-07-20
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structural basis of binding by cyclic nonphosphorylated Peptide antagonists of grb7 implicated in breast cancer progression
J.Mol.Biol., 412, 2011
3PSX
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BU of 3psx by Molmil
Crystal structure of the KT2 mutant of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant
Dalton Trans, 40, 2011
1RLU
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BU of 1rlu by Molmil
Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein ftsZ, GLYCEROL
Authors:Leung, A.K.W, White, E.L, Ross, L.J, Reynolds, R.C, DeVito, J.A, Borhani, D.W.
Deposit date:2003-11-26
Release date:2004-08-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches.
J.Mol.Biol., 342, 2004

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